# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Deluigi-O-R-Pasianot-R-C-Valencia-F-J-et-al--Fe-Ni-Cr-Co-Cu # implementation = 2021--Deluigi-O-R--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CoCu2Fe # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 -3.023452236e+02 -3.023452236e+02 1.04 -2.908940576e+02 -2.908940576e+02 1.06 -2.795575317e+02 -2.795575317e+02 1.08 -2.688383555e+02 -2.688383555e+02 1.10 -2.582933463e+02 -2.582933463e+02 1.12 -2.471758561e+02 -2.471758561e+02 1.14 -2.355730996e+02 -2.355730996e+02 1.16 -2.238266980e+02 -2.238266980e+02 1.18 -2.126997618e+02 -2.126997618e+02 1.20 -2.031878013e+02 -2.031878013e+02 1.22 -1.952866113e+02 -1.952866113e+02 1.24 -1.881316461e+02 -1.881316461e+02 1.26 -1.812859870e+02 -1.812859870e+02 1.28 -1.749812357e+02 -1.749812357e+02 1.30 -1.691800845e+02 -1.691800845e+02 1.32 -1.633931295e+02 -1.633931295e+02 1.34 -1.572367483e+02 -1.572367483e+02 1.36 -1.509447248e+02 -1.509447248e+02 1.38 -1.450107001e+02 -1.450107001e+02 1.40 -1.395577672e+02 -1.395577672e+02 1.42 -1.342076577e+02 -1.342076577e+02 1.44 -1.285458442e+02 -1.285458442e+02 1.46 -1.224081771e+02 -1.224081771e+02 1.48 -1.159125045e+02 -1.159125045e+02 1.50 -1.093167250e+02 -1.093167250e+02 1.52 -1.028385479e+02 -1.028385479e+02 1.54 -9.653176959e+01 -9.653176959e+01 1.56 -9.021110755e+01 -9.021110755e+01 1.58 -8.352859254e+01 -8.352859254e+01 1.60 -7.620742362e+01 -7.620742362e+01 1.62 -6.830749367e+01 -6.830749367e+01 1.64 -6.021567262e+01 -6.021567262e+01 1.66 -5.237080471e+01 -5.237080471e+01 1.68 -4.502451187e+01 -4.502451187e+01 1.70 -3.823857180e+01 -3.823857180e+01 1.72 -3.204611073e+01 -3.204611073e+01 1.74 -2.649998465e+01 -2.649998465e+01 1.76 -2.160791739e+01 -2.160791739e+01 1.78 -1.726753653e+01 -1.726753653e+01 1.80 -1.330952569e+01 -1.330952569e+01 1.82 -9.648801435e+00 -9.648801435e+00 1.84 -6.621956754e+00 -6.621956754e+00 1.86 -4.379138738e+00 -4.379138738e+00 1.88 -2.823572630e+00 -2.823572630e+00 1.90 -1.807507970e+00 -1.807507970e+00 1.92 -1.176868713e+00 -1.176868713e+00 1.94 -8.127853190e-01 -8.127853190e-01 1.96 -6.462096302e-01 -6.462096302e-01 1.98 -6.352875619e-01 -6.352875619e-01 2.00 -7.457170570e-01 -7.457170570e-01 2.02 -9.452864770e-01 -9.452864770e-01 2.04 -1.204802070e+00 -1.204802070e+00 2.06 -1.499939528e+00 -1.499939528e+00 2.08 -1.810208003e+00 -1.810208003e+00 2.10 -2.117058258e+00 -2.117058258e+00 2.12 -2.403911160e+00 -2.403911160e+00 2.14 -2.658303002e+00 -2.658303002e+00 2.16 -2.872946066e+00 -2.872946066e+00 2.18 -3.046156613e+00 -3.046156613e+00 2.20 -3.181955090e+00 -3.181955090e+00 2.22 -3.288061315e+00 -3.288061315e+00 2.24 -3.372803880e+00 -3.372803880e+00 2.26 -3.442360684e+00 -3.442360684e+00 2.28 -3.503615397e+00 -3.503615397e+00 2.30 -3.562441265e+00 -3.562441265e+00 2.32 -3.620780137e+00 -3.620780137e+00 2.34 -3.675842115e+00 -3.675842115e+00 2.36 -3.724375810e+00 -3.724375810e+00 2.38 -3.764252044e+00 -3.764252044e+00 2.40 -3.794380836e+00 -3.794380836e+00 2.42 -3.814455198e+00 -3.814455198e+00 2.44 -3.826011503e+00 -3.826011503e+00 2.46 -3.830056952e+00 -3.830056952e+00 2.48 -3.827164635e+00 -3.827164635e+00 2.50 -3.818544159e+00 -3.818544159e+00 2.52 -3.804872067e+00 -3.804872067e+00 2.54 -3.786446727e+00 -3.786446727e+00 2.56 -3.764170938e+00 -3.764170938e+00 2.58 -3.738948898e+00 -3.738948898e+00 2.60 -3.711629185e+00 -3.711629185e+00 2.62 -3.682938051e+00 -3.682938051e+00 2.64 -3.653504214e+00 -3.653504214e+00 2.66 -3.623798401e+00 -3.623798401e+00 2.68 -3.593951093e+00 -3.593951093e+00 2.70 -3.563866576e+00 -3.563866576e+00 2.72 -3.533334200e+00 -3.533334200e+00 2.74 -3.502063039e+00 -3.502063039e+00 2.76 -3.469726300e+00 -3.469726300e+00 2.78 -3.435907431e+00 -3.435907431e+00 2.80 -3.399927472e+00 -3.399927472e+00 2.82 -3.360992015e+00 -3.360992015e+00 2.84 -3.318427105e+00 -3.318427105e+00 2.86 -3.272074676e+00 -3.272074676e+00 2.88 -3.221977509e+00 -3.221977509e+00 2.90 -3.168759059e+00 -3.168759059e+00 2.92 -3.113553125e+00 -3.113553125e+00 2.94 -3.057750697e+00 -3.057750697e+00 2.96 -3.002630828e+00 -3.002630828e+00 2.98 -2.949094670e+00 -2.949094670e+00 3.00 -2.897533899e+00 -2.897533899e+00 3.02 -2.845859038e+00 -2.845859038e+00 3.04 -2.789961232e+00 -2.789961232e+00 3.06 -2.726344095e+00 -2.726344095e+00 3.08 -2.652016276e+00 -2.652016276e+00 3.10 -2.564300571e+00 -2.564300571e+00 3.12 -2.461019223e+00 -2.461019223e+00 3.14 -2.340421389e+00 -2.340421389e+00 3.16 -2.201335550e+00 -2.201335550e+00 3.18 -2.043465226e+00 -2.043465226e+00 3.20 -1.867233245e+00 -1.867233245e+00 3.22 -1.678125188e+00 -1.678125188e+00 3.24 -1.484919731e+00 -1.484919731e+00 3.26 -1.295185752e+00 -1.295185752e+00 3.28 -1.114993044e+00 -1.114993044e+00 3.30 -9.486491013e-01 -9.486491013e-01 3.32 -7.984876325e-01 -7.984876325e-01 3.34 -6.649012813e-01 -6.649012813e-01 3.36 -5.468302956e-01 -5.468302956e-01 3.38 -4.423534638e-01 -4.423534638e-01 3.40 -3.491911495e-01 -3.491911495e-01 3.42 -2.651599382e-01 -2.651599382e-01 3.44 -1.885058026e-01 -1.885058026e-01 3.46 -1.179524187e-01 -1.179524187e-01 3.48 -5.260237103e-02 -5.260237103e-02 3.50 8.201366859e-03 8.201366859e-03 3.52 6.499528557e-02 6.499528557e-02 3.54 1.182757495e-01 1.182757495e-01 3.56 1.685377985e-01 1.685377985e-01 3.58 2.162293228e-01 2.162293228e-01 3.60 2.616936192e-01 2.616936192e-01 3.62 3.052387069e-01 3.052387069e-01 3.64 3.471456163e-01 3.471456163e-01 3.66 3.876562718e-01 3.876562718e-01 3.68 4.269901264e-01 4.269901264e-01 3.70 4.653515292e-01 4.653515292e-01 3.72 5.029302539e-01 5.029302539e-01 3.74 5.398995126e-01 5.398995126e-01 3.76 5.764131442e-01 5.764131442e-01 3.78 6.126007239e-01 6.126007239e-01 3.80 6.485608727e-01 6.485608727e-01 3.82 6.843525222e-01 6.843525222e-01 3.84 7.199833736e-01 7.199833736e-01 3.86 7.553821735e-01 7.553821735e-01 3.88 7.902880536e-01 7.902880536e-01 3.90 8.243338977e-01 8.243338977e-01 3.92 8.571163253e-01 8.571163253e-01 3.94 8.882016095e-01 8.882016095e-01 3.96 9.171369238e-01 9.171369238e-01 3.98 9.434536249e-01 9.434536249e-01 4.00 9.666715537e-01 9.666715537e-01 4.02 9.863040398e-01 9.863040398e-01 4.04 1.001863495e+00 1.001863495e+00 4.06 1.012867806e+00 1.012867806e+00 4.08 1.018846682e+00 1.018846682e+00 4.10 1.019300709e+00 1.019300709e+00 4.12 1.013492894e+00 1.013492894e+00 4.14 1.000791563e+00 1.000791563e+00 4.16 9.807819276e-01 9.807819276e-01 4.18 9.532376265e-01 9.532376265e-01 4.20 9.180897548e-01 9.180897548e-01 4.22 8.753884161e-01 8.753884161e-01 4.24 8.252879755e-01 8.252879755e-01 4.26 7.680294495e-01 7.680294495e-01 4.28 7.039203653e-01 7.039203653e-01 4.30 6.333171256e-01 6.333171256e-01 4.32 5.566101361e-01 5.566101361e-01 4.34 4.742135796e-01 4.742135796e-01 4.36 3.865585962e-01 3.865585962e-01 4.38 2.940938772e-01 2.940938772e-01 4.40 1.972922060e-01 1.972922060e-01 4.42 9.666698180e-02 9.666698180e-02 4.44 -6.907375507e-03 -6.907375507e-03 4.46 -8.661546987e-02 -8.661546987e-02 4.48 -8.164301537e-02 -8.164301537e-02 4.50 5.473871544e-02 5.473871544e-02 4.52 3.515209865e-01 3.515209865e-01 4.54 8.228102717e-01 8.228102717e-01 4.56 1.472189879e+00 1.472189879e+00 4.58 2.293881072e+00 2.293881072e+00 4.60 3.274816774e+00 3.274816774e+00 4.62 4.402154791e+00 4.402154791e+00 4.64 5.666315775e+00 5.666315775e+00 4.66 7.062422621e+00 7.062422621e+00 4.68 8.590325751e+00 8.590325751e+00 4.70 1.025311313e+01 1.025311313e+01 4.72 1.205424622e+01 1.205424622e+01 4.74 1.399381853e+01 1.399381853e+01 4.76 1.606459482e+01 1.606459482e+01 4.78 1.824861536e+01 1.824861536e+01 4.80 2.051529433e+01 2.051529433e+01 4.82 2.282104968e+01 2.282104968e+01 4.84 2.511094040e+01 2.511094040e+01 4.86 2.732163495e+01 2.732163495e+01 4.88 2.938544779e+01 2.938544779e+01 4.90 3.123459668e+01 3.123459668e+01 4.92 3.280531169e+01 3.280531169e+01 4.94 3.404125501e+01 3.404125501e+01 4.96 3.489623739e+01 3.489623739e+01 4.98 3.533598151e+01 3.533598151e+01 5.00 3.533919570e+01 3.533919570e+01 5.02 3.489785376e+01 3.489785376e+01 5.04 3.401674786e+01 3.401674786e+01 5.06 3.270878902e+01 3.270878902e+01 5.08 3.099753245e+01 3.099753245e+01 5.10 2.892061736e+01 2.892061736e+01 5.12 2.652977258e+01 2.652977258e+01 5.14 2.389002858e+01 2.389002858e+01 5.16 2.107804921e+01 2.107804921e+01 5.18 1.817945461e+01 1.817945461e+01 5.20 1.528491514e+01 1.528491514e+01 5.22 1.248644775e+01 1.248644775e+01 5.24 9.875150557e+00 9.875150557e+00 5.26 7.528149578e+00 7.528149578e+00 5.28 5.500776322e+00 5.500776322e+00 5.30 3.823209521e+00 3.823209521e+00 5.32 2.499496741e+00 2.499496741e+00 5.34 1.509502501e+00 1.509502501e+00 5.36 8.136348771e-01 8.136348771e-01 5.38 3.597232023e-01 3.597232023e-01 5.40 9.079074013e-02 9.079074013e-02 5.42 -4.770137836e-02 -4.770137836e-02 5.44 -1.024361146e-01 -1.024361146e-01 5.46 -1.093678911e-01 -1.093678911e-01 5.48 -9.336896698e-02 -9.336896698e-02 5.50 -6.974464007e-02 -6.974464007e-02 5.52 -4.667087413e-02 -4.667087413e-02 5.54 -2.768345726e-02 -2.768345726e-02 5.56 -1.368426154e-02 -1.368426154e-02 5.58 -4.308117614e-03 -4.308117614e-03 5.60 1.295843581e-03 1.295843581e-03 5.62 4.077527673e-03 4.077527673e-03 5.64 4.918083461e-03 4.918083461e-03 5.66 4.563906791e-03 4.563906791e-03 5.68 3.605550846e-03 3.605550846e-03 5.70 2.474573833e-03 2.474573833e-03 5.72 1.453846425e-03 1.453846425e-03 5.74 6.940942412e-04 6.940942412e-04 5.76 2.368872344e-04 2.368872344e-04 5.78 3.908465500e-05 3.908465500e-05 5.80 1.351394108e-07 1.351394108e-07 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00